#!/bin/csh -f

if( ! $?TESTsander ) set TESTsander = "../../exe/pbsa"

if( ! $?DO_PARALLEL ) then
        setenv DO_PARALLEL " "
else
    echo "This test not set up for parallel"
    echo " cannot run in parallel with pbsa"
    exit 0
endif

cat > mdin <<EOF
 test of pbsa
 &cntrl                                                                        
   ntx=1, imin=1, ipb=2, inp=0
 /   
 &pb
   npbverb=0, istrng=150, ivalence=1, iprob=2.0, epsout=80.0, epsin=1.0, space=0.5,
   accept=1e-3, dprob=1.5, radiopt=1, fillratio=1.5, bcopt=5, smoothopt=1,
   dbfopt=0, cutnb=8, maxitn=10000
 /   
EOF

set output = mdout.110D.min

$DO_PARALLEL $TESTsander -O -i mdin -c 110D.mincrd  -o $output || goto error

../dacdif $output.save $output
/bin/rm -f mdin restrt mdinfo
exit(0)

error:
echo "  ${0}:  Program error"
exit(1)
